3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide

C11H11BrFN3O2S — CID 71991658

IUPAC3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C11H11BrFN3O2S/c1-2-16-7-8(6-14-16)15-19(17,18)9-3-4-11(13)10(12)5-9/h3-7,15H,2H2,1H3
InChIKeyJSSPZVCYRASEQW-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.61
Rot. Bonds4

About 3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide

3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 71991658) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
PubChem CID71991658
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC Name3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C11H11BrFN3O2S/c1-2-16-7-8(6-14-16)15-19(17,18)9-3-4-11(13)10(12)5-9/h3-7,15H,2H2,1H3
InChIKeyJSSPZVCYRASEQW-UHFFFAOYSA-N
XLogP2.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
2-amino-5-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491419
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31913122
N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 60824964
4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43430297
6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 39836918
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 56805891
5-amino-N-(1-ethylpyrazol-4-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79896455
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
N-[5-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 31913130

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide (CID 71991658) is 3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)cn1.
What is the InChIKey of 3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is JSSPZVCYRASEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c1-2-16-7-8(6-14-16)15-19(17,18)9-3-4-11(13)10(12)5-9/h3-7,15H,2H2,1H3.
What are the key properties of 3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 348.20 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 71991658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).